1H-Indazole-4-boronic Acid - CAS 1023595-17-6

Name: 1H-Indazole-4-boronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000842
Product Name:	1H-Indazole-4-boronic Acid
CAS:	1023595-17-6
Synonyms:	1H-indazol-4-ylboronic acid; 1H-indazol-4-ylboronic acid

Technical Data

IUPAC Name:	1H-indazol-4-ylboronic acid
Description:	Reactant for: Preparation of trisubstituted pyrimidines as phosphatidylinositol 3-kinase inhibitors; Preparation of bisphosphonate inhibitors of human farnesyl pyrophosphate synthase.
Molecular Weight:	161.95
Molecular Formula:	C7H7N2O2B
Canonical SMILES:	B(C1=C2C=NNC2=CC=C1)(O)O
InChI:	InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-3-7-5(6)4-9-10-7/h1-4,11-12H,(H,9,10)
InChI Key:	BGZZJZIZRARGGZ-UHFFFAOYSA-N
Boiling Point:	457.012 °C at 760 mmHg
Melting Point:	173-177 °C
Flash Point:	Not applicable
Density:	1.423 g/cm³
Storage:	2-8 °C
MDL:	MFCD09878901
LogP:	-0.75730

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021127333-A1	Trpml modulators	20191219
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
US-2021167321-A1	Inorganic light emitting diode and inorganic light emitting device including the same	20191128
CN-110642880-A	Preparation method of nitrogen unsubstituted pyrazole and indazole boric acid	20191011
WO-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	20190313

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.0600576
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	162.0600576
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0